SCHEMBL4418554

SCHEMBL4418554

Clc1ccsc1-c1nnc(-c2cccnc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2A6 P11509 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2D6 P10635 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2274986 0.79 NPC1 (0.76) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL4552321 0.78 CASP3 (0.63) RAB9ANPC1HSD17B10CASP3TP53
SCHEMBL4553009 0.78 CASP3 (0.72) RAB9ANPC1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4929292 0.78 NPC1 (0.73) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL4552995 0.77 CASP3 (0.59) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL1422502 0.75 NPC1 (1.00) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL9058679 0.75 RAB9A (1.00) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL1423374 0.75 RAB9A (0.69) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL1422987 0.75 NPC1 (1.00) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL13197417 0.74 NPC1 (0.74) RAB9ANPC1HPGDKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN claimed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP claimed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US claimed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO claimed
EP-1618205-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2009-04-08 EP disclosed
US-7435750-B2 Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-10-14 US disclosed
US-7041685-B2 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-09 US disclosed
EP-1618205-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-01-25 EP disclosed
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN disclosed
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094648-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. ET AL. (US) 2004-11-04 WO disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis PDCD6IP, THUMPD1, CCAR2 RAB9A 3925/4885NPC1 4341/4885HPGD 4404/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 RAB9A 3776/4885NPC1 3032/4885HPGD 1435/4885
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP4 RAB9A 3262/4885NPC1 3327/4885HPGD 1834/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.